3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide

C22H22N2O2 — CID 2965131

IUPAC3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1ccc(O)c(C(CC(=O)NCc2cccnc2)c2ccccc2)c1
InChIInChI=1S/C22H22N2O2/c1-16-9-10-21(25)20(12-16)19(18-7-3-2-4-8-18)13-22(26)24-15-17-6-5-11-23-14-17/h2-12,14,19,25H,13,15H2,1H3,(H,24,26)
InChIKeyFHUAOOUQHNPGMU-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.93
Rot. Bonds6

About 3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide

3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 2965131) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID2965131
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1ccc(O)c(C(CC(=O)NCc2cccnc2)c2ccccc2)c1
InChIInChI=1S/C22H22N2O2/c1-16-9-10-21(25)20(12-16)19(18-7-3-2-4-8-18)13-22(26)24-15-17-6-5-11-23-14-17/h2-12,14,19,25H,13,15H2,1H3,(H,24,26)
InChIKeyFHUAOOUQHNPGMU-UHFFFAOYSA-N
XLogP3.93
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

GR-55562
CID 128018
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3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pyridin-4-ylpropanamide
CID 24818296
3'-hydroxy-N-[4-(3-pyridinyl)butyl][1,1'-biphenyl]-4-carboxamide
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CID 46890401
3-amino-2-(3-hydroxyphenyl)-N-isoquinolin-6-ylpropanamide
CID 59563769
4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide
CID 135335735
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
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2-((8R,9S,13S,14S,16R)-2-ethyl-3-hydroxy-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-16-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 11339805
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 17540194
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 17543573

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide (CID 2965131) is 3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide is Cc1ccc(O)c(C(CC(=O)NCc2cccnc2)c2ccccc2)c1.
What is the InChIKey of 3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is FHUAOOUQHNPGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-16-9-10-21(25)20(12-16)19(18-7-3-2-4-8-18)13-22(26)24-15-17-6-5-11-23-14-17/h2-12,14,19,25H,13,15H2,1H3,(H,24,26).
What are the key properties of 3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide?
3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 346.43 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 2965131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).